N-(4-methylpiperazin-4-ium-1-yl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C17H20N5OS+ MolecularWeight: 342.4386

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C17H19N5OS/c1-20-8-10-22(11-9-20)19-16(23)13-4-5-14-15(12-13)24-17(18-14)21-6-2-3-7-21/h2-7,12H,8-11H2,1H3,(H,19,23)/p+1